On Mon, Apr 02, 2012, Aditya Setiajid wrote:
>
> I tried to made a prmtop and inpcrd file using antechamber for protein
> ligand complex. I used 6COX from pdb for the protein, and i have
> truncated the protein into one chain (chain A and S58 only, it means i
> also cut the nag and hem residue)
>
> when i used command :
>
> saveamberparm [file] [file].prmtop [file].inpcrd
>
> the report is:
>
>
> FATAL: Atom .R<ASN 582>.A<C 3> does not have a type.
Please tell us the complete set of leap commands you used. Did you load a
leaprc file? Which one? What other commands did you give to leap? What
does antechamber have to do with this?
....dac
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Received on Mon Apr 02 2012 - 05:30:03 PDT
